I believe you can use lsqkab and DynDom. Get the direction cosines of the rotation axis w.r.t. the centroid, etc. and also get a graphical representation + some more numbers for angular rotation, etc.
-----Original Message----- From: CCP4 bulletin board on behalf of U Sam Sent: Sat 7/7/2007 9:23 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] how to convert matrix to angle In this connection I like to know how symmetry (in degrees and translation) is calculated between two or more molecules in the asymmetric unit (A.U.).Suppose if I download a PDB then I like to know the symmetry axis and center coordinate of symmetry axis between two or more molecules in A.U. ThanksDate: Sun, 8 Jul 2007 09:45:30 +0800From: [EMAIL PROTECTED]: Re: [ccp4bb] how to convert matrix to angleTo: [EMAIL PROTECTED] a lot. You are so kind. On 7/7/07, Kay Diederichs <[EMAIL PROTECTED]> wrote: Jiamu Du schrieb:> Dear all:> I want to calculate the rotation angle between two similar domains. By > using Coot, I can superposr the two domain and get the rotation matrix.> But > how to convert this matrix to an angle. Is there any program can> calculate > this ?> Thanks.>Jiamu Du, If you have the rotation matrixa11 a12 a13a21 a22 a23a31 a32 a33then(a11 + a22 + a33 - 1) / 2is the cosine of the angle you're looking for.HTH,Kay--Kay Diederichs http://strucbio.biologie.uni-konstanz.deemail: [EMAIL PROTECTED] Tel +49 7531 88 4049 Fax 3183 Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz-- Jiamu DuState Key Laboratory of Molecular BiologyInstitute of Biochemistry and Cell Biology Shanghai Institutes for Biological Sciences Chinese Academy of Sciences (CAS) _________________________________________________________________ Local listings, incredible imagery, and driving directions - all in one place! Find it! http://maps.live.com/?wip=69&FORM=MGAC01
